octavian-ganea/equidock_public

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

RoffPythongeometryproteinsdrug-discoverydeeplearningdockingprotein-protein-interactionequivariancegraphneuralnetworkdrugdiscoveryequivariant-networkequivariant-representations
This is stars and forks stats for /octavian-ganea/equidock_public repository. As of 20 Apr, 2024 this repository has 198 stars and 51 forks.

Source code for EquiDock: Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking (ICLR 2022) Please cite @article{ganea2021independent, title={Independent SE (3)-Equivariant Models for End-to-End Rigid Protein Docking}, author={Ganea, Octavian-Eugen and Huang, Xinyuan and Bunne, Charlotte and Bian, Yatao and Barzilay, Regina and Jaakkola, Tommi and Krause, Andreas}, journal={arXiv preprint arXiv:2111.07786}, year={2021} } Dependencies Current code works on Linux/Mac OSx...
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